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pyscf
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Complexity
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Issues
A
pyscf\pbc\grad\test\test_kuhf.py
2 2 -
A
pyscf\pbc\grad\test\test_kuks.py
4 1 -
A
pyscf\cc\uintermediates_slow.py
24 4 -
A
pyscf\pbc\gto\__init__.py
 2 -
A
pyscf\pbc\gto\_pbcintor.py
8 2 -
A
examples\mp\42-omp2.py
3 1 -
A
pyscf\ci\__init__.py
25 2 -
A
pyscf\pbc\gto\basis\__init__.py
10 3 -
A
pyscf\pbc\gto\basis\parse_cp2k.py
28 4 -
A
pyscf\ci\addons.py
3 2 -
A
pyscf\pbc\gto\basis\split_BASIS_MOLOPT.py
11 2 -
A
examples\fci\30-h6_scan.py
 1 -
A
examples\mpi\00-pbc_df.py
 1 -
A
pyscf\pbc\gto\basis\split_GTH_BASIS_SETS.py
10 2 -
A
pyscf\pbc\gto\basis\split_HFX_BASIS.py
11 2 -
A
pyscf\ci\gcisd.py
68 12 -
A
pyscf\pbc\gto\ecp.py
6 2 -
A
pyscf\pbc\gto\eval_gto.py
16 5 -
A
examples\mrpt\02-cr2_nevpt2\cr2-scan.py
2 1 -
A
pyscf\ci\test\test_cisd.py
40 3 -